SCHEMBL959896

SCHEMBL959896

O=C(O)c1cc(N2CCC(F)(F)CC2)cc(COC2CCCCO2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CREBBP Q92793 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
EP300 Q09472 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
WHR1 P49842 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL113587 0.88 ALOX5AP (0.36) ALOX5APMEN1KMT2A
SCHEMBL7016133 0.88 CFTR (0.40) MEN1KMT2ACYP4F2CYP4A11KDM4C
2-Picolinic Acid SCHEMBL158317 0.82 LPL (0.37) ALOX5APMEN1KMT2ACREBBPCYP4F2
SCHEMBL113359 0.81 ALOX5AP (0.34) ALOX5APCREBBPEP300
SCHEMBL964490 0.78 HTR2C (0.33) ALOX5AP
SCHEMBL962245 0.77 HTR2C (0.33) ALOX5AP
SCHEMBL163419 0.72 KCNH2 (0.37) MEN1KMT2ACREBBPL3MBTL1KDM4C
SCHEMBL112675 0.71 KDM4C (0.46) MEN1KMT2ACREBBPCYP4F2CYP4A11
SCHEMBL113428 0.71 KCNH2 (0.36) CREBBPL3MBTL1KDM4CEP300
SCHEMBL962706 0.70 OPRM1 (0.35) CREBBPL3MBTL1KDM4CEP300

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE NPY4R, NPY1R, NPY2R ALOX5AP 1020/4885MEN1 1674/4885KMT2A 3144/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.